Home Other Building Blocks N-butyl-3-iodoaniline hydrochloride

N-butyl-3-iodoaniline hydrochloride

CAS No.:
1311316-48-9
Catalog Number:
AG01AGV8
Molecular Formula:
C10H15ClIN
Molecular Weight:
311.5903
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Product Description
Catalog Number:
AG01AGV8
Chemical Name:
N-butyl-3-iodoaniline hydrochloride
CAS Number:
1311316-48-9
Molecular Formula:
C10H15ClIN
Molecular Weight:
311.5903
IUPAC Name:
N-butyl-3-iodoaniline;hydrochloride
InChI:
InChI=1S/C10H14IN.ClH/c1-2-3-7-12-10-6-4-5-9(11)8-10;/h4-6,8,12H,2-3,7H2,1H3;1H
InChI Key:
QCHYKVAVCZUPMH-UHFFFAOYSA-N
SMILES:
CCCCNc1cccc(c1)I.Cl
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.994g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
311.591g/mol
Monoisotopic Mass:
310.994g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties